2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide

C12H16ClNOS — CID 112658045

IUPAC2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide
SMILESCSCCN(C)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C12H16ClNOS/c1-14(8-9-16-2)12(15)11(13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyLSKCCRYZSDUKKS-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.79
Rot. Bonds5

About 2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide

2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide (PubChem CID 112658045) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide
PubChem CID112658045
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide
SMILESCSCCN(C)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C12H16ClNOS/c1-14(8-9-16-2)12(15)11(13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyLSKCCRYZSDUKKS-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide
CID 82110850
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide
CID 114948710
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide
CID 131559171
2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112664377
2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
CID 82960088
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide (CID 112658045) is 2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide is CSCCN(C)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide?
The InChIKey is LSKCCRYZSDUKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-14(8-9-16-2)12(15)11(13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide?
2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide has a molecular weight of 257.79 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide is sourced from PubChem (CID 112658045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).